General Information of the Compound
| Compound ID |
CP0544043
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| Compound Name |
2-[3-[[1-[5-[(3-methyl-5-phenyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]piperidin-4-yl]methoxy]phenyl]acetic acid
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| Structure |
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| Formula |
C35H33N3O5
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| Molecular Weight |
575.665
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(CC(O)=O)c2)CC1
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| InChI |
InChI=1S/C35H33N3O5/c1-23-30-20-27(26-7-3-2-4-8-26)10-12-31(30)43-34(23)35(41)37-28-11-13-32(36-21-28)38-16-14-24(15-17-38)22-42-29-9-5-6-25(18-29)19-33(39)40/h2-13,18,20-21,24H,14-17,19,22H2,1H3,(H,37,41)(H,39,40)
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| InChIKey |
QTUZWWMPCWBLRT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound